3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-propoxy-phenyl]naphthalene-2-carboxylic acid

Systemtic Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-propoxy-phenyl]naphthalene-2-carboxylic acid Openeye Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-propoxy-phenyl]naphthalene-2-carboxylic acid CAS Name: 3-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-propoxyphenyl]-2-naphthalenecarboxylic acid IUPAC Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-propoxyphenyl]naphthalene-2-carboxylic acid Traditional Name: 3-[2-[(4-amidinophenyl)carbamoyl]-4-propoxy-phenyl]-2-naphthoic acid Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C2=CC3=CC=CC=C3C=C2C(=O)O)C(=O)NC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C2=CC3=CC=CC=C3C=C2C(=O)O)C(=O)NC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H25N3O4/c1-2-13-35-21-11-12-22(23-14-18-5-3-4-6-19(18)15-25(23)28(33)34)24(16-21)27(32)31-20-9-7-17(8-10-20)26(29)30/h3-12,14-16H,2,13H2,1H3,(H3,29,30)(H,31,32)(H,33,34)